Geometry & MOs

Info

ID:	72921
PubChem CID:	48416685
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-154.77
Dipole, Da:	2.6
IP(EA), eV:	-9.44(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-oxo-2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]sulfonylmethyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations